General
Preferred name
ALOIN
Synonyms
Barbaloin-A ()
Aloin-A ()
Barbaloin ()
Barbalin ()
Isobarbaloin ()
Barbaloin, Barbalin ()
P&D ID
PD012046
CAS
1415-73-2
5133-19-7
8015-61-0
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
418.13
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
7
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
2
cLogP
-0.89
TPSA
167.91
Fraction CSP3
0.38
Chiral centers
6.0
Largest ring
6.0
QED
0.33
QED
0.33
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Proteases/Proteasome
Tyrosinase
MOA
angiogenesis inhibitor
Source data
